Geometry & MOs

Info

ID:	268292
PubChem CID:	103598770
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	5.23
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-fluorophenyl)but-2-enoylamino]-3-methylurea

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C=CC2=CSC(=N2)C

DOS

IR

Vibrations